{6-[4-(4-Ethylpiperazin-1-Ylmethyl)-Phenyl]-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl}-((R)-1-Phenylethyl)Amine {6-[4-(4-乙基哌嗪-1-基甲基)-苯基]-7H吡咯并[2,3-d]嘧啶-4-基}-((R)-1-苯基乙基)胺
CAS 497839-62-0 MFCD97839620
化学结构图
SMILES: CCN1CCN(Cc2ccc(-c3cc4c(N[C@H](C)c5ccccc5)ncnc4[nH]3)cc2)CC1
化学属性
| Mol. Weight | 440.58 |
|---|---|
| Mol. Formula | C27H32N6 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| CAS Number | 497839-62-0 |
|---|---|
| Chemical Name | {6-[4-(4-Ethylpiperazin-1-Ylmethyl)-Phenyl]-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl}-((R)-1-Phenylethyl)Amine |
| Synonym | 6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine AEE788; AEE 788; AEE-788. [6-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin |
| Chemical Name Translation | {6-[4-(4-乙基哌嗪-1-基甲基)-苯基]-7H吡咯并[2,3-d]嘧啶-4-基}-((R)-1-苯基乙基)胺 |
| Formula | C27H32N6 |
| IUPAC Name | (R)-6-(4-((4-ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine. |
| InChIKey | OONFNUWBHFSNBT-HXUWFJFHSA-N |
| InChI | InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1 |
| Canonical SMILES | C[C@@H](NC1=C2C(NC(C3=CC=C(CN4CCN(CC)CC4)C=C3)=C2)=NC=N1)C5=CC=CC=C5 |
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分类
- Amines
- Chiral Reagents
- Heterocycles
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Tyrosine Kinase Inhibitors
产品应用
- AEE-788 is an orally bioavailable multiple-receptor tyrosine kinase inhibitor. AEE788 inhibits phosphorylation of the tyrosine kinases of epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), and vascular endothelial growth factor receptor 2 (VEGF2), resulting in receptor inhibition, the inhibition of cellular proliferation, and induction of tumor cell and tumor-associated endothelial cell apoptosis. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus).
相关文献及参考
- Ito, Y., et al.: Br. J. Cancer., 84, 1377
